2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine

C14H32N2O2S — CID 65094284

IUPAC2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCCS(=O)(=O)CC)C(CC)(CC)CN
InChIInChI=1S/C14H32N2O2S/c1-5-10-16(14(6-2,7-3)13-15)11-9-12-19(17,18)8-4/h5-13,15H2,1-4H3
InChIKeyYTENKPPWSBAWHS-UHFFFAOYSA-N
MW292.49 g/mol
LogP2.04
Rot. Bonds11

About 2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine

2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine (PubChem CID 65094284) has the molecular formula C14H32N2O2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine
PubChem CID65094284
Molecular FormulaC14H32N2O2S
Molecular Weight292.49 g/mol
Exact Mass292.22
IUPAC Name2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCCS(=O)(=O)CC)C(CC)(CC)CN
InChIInChI=1S/C14H32N2O2S/c1-5-10-16(14(6-2,7-3)13-15)11-9-12-19(17,18)8-4/h5-13,15H2,1-4H3
InChIKeyYTENKPPWSBAWHS-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 106722764
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
CID 62008603
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873
2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
CID 62008795
2-ethyl-2-N-(2-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62103453
N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide
CID 62008453
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
CID 107869452
4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
CID 115576499
5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine
CID 112567863
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine
CID 62010164
2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine
CID 63481010

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine (CID 65094284) is 2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine is CCCN(CCCS(=O)(=O)CC)C(CC)(CC)CN.
What is the InChIKey of 2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine?
The InChIKey is YTENKPPWSBAWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2S/c1-5-10-16(14(6-2,7-3)13-15)11-9-12-19(17,18)8-4/h5-13,15H2,1-4H3.
What are the key properties of 2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine?
2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine has a molecular weight of 292.49 g/mol, XLogP of 2.04, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 65094284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).